2-[4-(4-methoxyphenyl)-2-(sulfanylmethyl)butanoyl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)-2-(sulfanylmethyl)butanoyl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)-2-(sulfanylmethyl)butanoyl]oxy-3-phenyl-propanoic acid CAS Name: 2-[2-(mercaptomethyl)-4-(4-methoxyphenyl)-1-oxobutoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-(4-methoxyphenyl)-2-(sulfanylmethyl)butanoyl]oxy-3-phenylpropanoic acid Traditional Name: 2-[2-(mercaptomethyl)-4-(4-methoxyphenyl)butanoyl]oxy-3-phenyl-propionic acid Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(CS)C(=O)OC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(CS)C(=O)OC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H24O5S/c1-25-18-11-8-15(9-12-18)7-10-17(14-27)21(24)26-19(20(22)23)13-16-5-3-2-4-6-16/h2-6,8-9,11-12,17,19,27H,7,10,13-14H2,1H3,(H,22,23)